N-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H8F5N5OS — CID 167813740

IUPACN-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1nnc(-c2c(F)cccc2F)s1
InChIInChI=1S/C14H8F5N5OS/c15-7-2-1-3-8(16)11(7)12-21-22-13(26-12)20-10(25)6-24-5-4-9(23-24)14(17,18)19/h1-5H,6H2,(H,20,22,25)
InChIKeyYEFIQFPTZMPKRQ-UHFFFAOYSA-N
MW389.31 g/mol
LogP3.34
Rot. Bonds4

About N-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 167813740) has the molecular formula C14H8F5N5OS and a molecular weight of 389.31 g/mol. Its IUPAC name is N-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID167813740
Molecular FormulaC14H8F5N5OS
Molecular Weight389.31 g/mol
Exact Mass389.04
IUPAC NameN-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1nnc(-c2c(F)cccc2F)s1
InChIInChI=1S/C14H8F5N5OS/c15-7-2-1-3-8(16)11(7)12-21-22-13(26-12)20-10(25)6-24-5-4-9(23-24)14(17,18)19/h1-5H,6H2,(H,20,22,25)
InChIKeyYEFIQFPTZMPKRQ-UHFFFAOYSA-N
XLogP3.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 167813740) is N-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1nnc(-c2c(F)cccc2F)s1.
What is the InChIKey of N-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is YEFIQFPTZMPKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N5OS/c15-7-2-1-3-8(16)11(7)12-21-22-13(26-12)20-10(25)6-24-5-4-9(23-24)14(17,18)19/h1-5H,6H2,(H,20,22,25).
What are the key properties of N-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 389.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 167813740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).